EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:191160 - Pyroglu-phe

ChEBI IDCHEBI:191160
ChEBI NamePyroglu-phe
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16N2O4
Net Charge0
Average Mass276.292
Monoisotopic Mass276.11101
SMILESO=C1CCC(C(=O)NC(Cc2ccccc2)C(=O)O)N1
InChIInChI=1S/C14H16N2O4/c17-12-7-6-10(15-12)13(18)16-11(14(19)20)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyXCEZCXFVJLMPKG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pyroglu-phe (CHEBI:191160) is a peptide (CHEBI:16670)
IUPAC Name 
2-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
Manual XrefsDatabases
14611103ChemSpider